SCHEMBL8740908

SCHEMBL8740908

Cc1[nH]c(C(=O)O)c2c1CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.43
BRD4 O60885 3/20 0.41
KDM4E B2RXH2 3/20 0.40
CREBBP Q92793 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HCAR2 Q8TDS4 3/20 0.36
GAA P10253 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
NOTUM Q6P988 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22548162 0.76 BRD4 (0.70) BRD4ALDH1A1KMT2AMEN1LMNA
SCHEMBL22116110 0.76 BRD4 (0.69) PTK2BRD4CREBBP
SCHEMBL19323971 0.74 KDM4E (0.48) BRD4KDM4EALDH1A1KMT2AMEN1
SCHEMBL24263869 0.73 BRD4 (0.67) BRD4KDM4ECREBBPALDH1A1KMT2A
SCHEMBL8153549 0.72 PTK2 (0.62) PTK2ALDH1A1KMT2ALMNAMAPT
SCHEMBL22548401 0.72 BRD4 (0.66) BRD4KDM4EALDH1A1KMT2AMEN1
SCHEMBL18190690 0.71 ALDH1A1 (0.46) PTK2BRD4KDM4ECREBBPALDH1A1
SCHEMBL16090245 0.71 USP2 (0.34) PTK2BRD4KDM4ECREBBPALDH1A1
SCHEMBL19323689 0.69 KDM4E (0.50) BRD4KDM4ECREBBPALDH1A1KMT2A
SCHEMBL4471381 0.68 HCAR2 (0.34) PTK2ALDH1A1KMT2AHCAR2TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684950-A4 CHEMICAL COMPOUNDS USEFUL IN PHOTODYNAMIC THERAPY AND PRODUCTION OF LASER LIGHT. BO DEKK VENTURES LTD (US) 1997-10-15 EP disclosed
EP-0684950-A1 CHEMICAL COMPOUNDS USEFUL IN PHOTODYNAMIC THERAPY AND PRODUCTION OF LASER LIGHT BO-DEKK VENTURES, LTD. (US) 1995-12-06 EP disclosed
US-5446157-A Boron difluoride compounds useful in photodynamic therapy and production of laser light BO-DEKK VENTURES, LTD. 1995-08-29 US disclosed
WO-1994019355-A1 CHEMICAL COMPOUNDS USEFUL IN PHOTODYNAMIC THERAPY AND PRODUCTION OF LASER LIGHT BO-DEKK VENTURES, LTD. (US) 1994-09-01 WO disclosed